4-chloro-2-(trifluoromethyl)pteridine

C7H2ClF3N4 — CID 82389584

IUPAC4-chloro-2-(trifluoromethyl)pteridine
SMILESFC(F)(F)c1nc(Cl)c2nccnc2n1
InChIInChI=1S/C7H2ClF3N4/c8-4-3-5(13-2-1-12-3)15-6(14-4)7(9,10)11/h1-2H
InChIKeyLXKWKBJLOSWGLP-UHFFFAOYSA-N
MW234.57 g/mol
LogP2.09
Rot. Bonds

About 4-chloro-2-(trifluoromethyl)pteridine

4-chloro-2-(trifluoromethyl)pteridine (PubChem CID 82389584) has the molecular formula C7H2ClF3N4 and a molecular weight of 234.57 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)pteridine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)pteridine
PubChem CID82389584
Molecular FormulaC7H2ClF3N4
Molecular Weight234.57 g/mol
Exact Mass233.99
IUPAC Name4-chloro-2-(trifluoromethyl)pteridine
SMILESFC(F)(F)c1nc(Cl)c2nccnc2n1
InChIInChI=1S/C7H2ClF3N4/c8-4-3-5(13-2-1-12-3)15-6(14-4)7(9,10)11/h1-2H
InChIKeyLXKWKBJLOSWGLP-UHFFFAOYSA-N
XLogP2.09
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.57
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)pteridine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)pteridine (CID 82389584) is 4-chloro-2-(trifluoromethyl)pteridine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)pteridine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)pteridine is FC(F)(F)c1nc(Cl)c2nccnc2n1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)pteridine?
The InChIKey is LXKWKBJLOSWGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N4/c8-4-3-5(13-2-1-12-3)15-6(14-4)7(9,10)11/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethyl)pteridine?
4-chloro-2-(trifluoromethyl)pteridine has a molecular weight of 234.57 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)pteridine is sourced from PubChem (CID 82389584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).